>compound 3-Indoleacetic acid_3-Indoleacetic acid
#instrument UPLC Q-Tof Premier, Waters
>formula C10H9NO2
#smiles OC(=O)Cc(c1)c(c2)c(ccc2)n1
#RECORD LC-ESI-QTOF_train_data/PR100570.txt;LC-ESI-QTOF_train_data/PR100149.txt;LC-ESI-QTOF_train_data/PR100148.txt
>charge -1
>ionization [M-H]-
>parentmass 174.05553

>collision 5-60
128.0507 7.915
130.0664 45.72
143.8976 4.049
174.0555 17.74

>collision 30
130.0685 11.41
176.0711 10.33

>collision 5-60
130.0654 26.73
176.0318 6.039
176.0711 191.4

